SCHEMBL4246316

SCHEMBL4246316

Nc1nc2cccc(C(=O)NCc3ccc(F)cc3)c2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 3/20 0.48
ROCK1 Q13464 1/20 0.48
MAPT P10636 2/20 0.47
MT-CO2 P00403 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HDAC2 Q92769 1/20 0.45
NSD2 O96028 2/20 0.45
PLA2G7 Q13093 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4242338 0.89 EGLN1 (0.46) KMT2ACYP1A2CYP2C19HTTSMN1; SMN2
SCHEMBL4239965 0.89 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL4243705 0.88 ROCK1 (0.50) HTTSMN1; SMN2ROCK1MAPT
SCHEMBL4241583 0.88 ADORA2A (0.48) KMT2ACYP2C19HTTSMN1; SMN2LMNA
SCHEMBL4239341 0.88 HPGD (0.57) KMT2AHTTSMN1; SMN2LMNAMAPT
SCHEMBL4246314 0.86 SMN1; SMN2 (0.50) KMT2ACYP1A2CYP2C19HTTSMN1; SMN2
SCHEMBL4239188 0.85 HPGD (0.52) SMN1; SMN2LMNAMAPTEGLN1
SCHEMBL4246337 0.85 KLKB1 (0.44) KMT2ASMN1; SMN2MAPTNSD2GALR3
SCHEMBL4241186 0.85 KMT2A (0.55) KMT2A
SCHEMBL4244275 0.85 HTR2C (0.51) EGLN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP KMT2A 4094/4885CYP1A2 670/4885CYP2C19 552/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP KMT2A 4094/4885CYP1A2 670/4885CYP2C19 552/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP KMT2A 4094/4885CYP1A2 670/4885CYP2C19 552/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.